SCHEMBL9832167

SCHEMBL9832167

CCOC(=O)c1ccc(N2CCC(=O)C2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 6/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
NPSR1 Q6W5P4 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9830224 0.88 MAPT (0.55) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL9830612 0.85 MAPT (0.50) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL9831799 0.84 MAPT (0.49) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL9831828 0.84 NR1H2 (0.41) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL9831758 0.81 KDM4E (0.42) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL9829081 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APOLBTSHR
SCHEMBL9832079 0.79 PDE3B (0.40) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL9830197 0.76 MAPT (0.41) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL9830729 0.76 SRD5A1 (0.47) MAPTKDM4EALDH1A1POLBNPSR1
SCHEMBL9831487 0.76 CYP3A4 (0.47) MAPTKDM4EALDH1A1RAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed